1-(2-methoxyphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(4-thianyl)-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(thian-4-yl)piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]piperazine Formula: C21H34N3OS+ MolecularWeight: 376.57916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)C4CCSCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CCSCC4

InChI

InChI=1S/C21H33N3OS/c1-25-21-7-3-2-6-20(21)23-13-11-22(12-14-23)19-5-4-10-24(17-19)18-8-15-26-16-9-18/h2-3,6-7,18-19H,4-5,8-17H2,1H3/p+1/t19-/m0/s1